(4S,5S,6S,7S,8S,9E)-9-[(4S,5S,6S,7S,8S)-hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecan-9-ylidene]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane

C30H32 — CID 134889487

IUPAC(4S,5S,6S,7S,8S,9E)-9-[(4S,5S,6S,7S,8S)-hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecan-9-ylidene]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane
SMILESC1CC12C[C@]21C[C@]12C[C@]21C[C@]12C[C@]21C/C1=C1/C[C@]12C[C@]21C[C@]12C[C@]21C[C@]12CC21CC1
InChIInChI=1S/C30H32/c1-2-19(1)7-23(19)11-27(23)15-29(27)13-25(29)9-21(25)5-17(21)18-6-22(18)10-26(22)14-30(26)16-28(30)12-24(28)8-20(24)3-4-20/h1-16H2/b18-17+/t21-,22-,23-,24-,25-,26-,27-,28-,29-,30-/m0/s1
InChIKeyVIZWDHGMQYRFEC-MFMLRJMISA-N
MW392.59 g/mol
LogP6.55
Rot. Bonds

About (4S,5S,6S,7S,8S,9E)-9-[(4S,5S,6S,7S,8S)-hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecan-9-ylidene]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane

(4S,5S,6S,7S,8S,9E)-9-[(4S,5S,6S,7S,8S)-hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecan-9-ylidene]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane (PubChem CID 134889487) has the molecular formula C30H32 and a molecular weight of 392.59 g/mol. Its IUPAC name is (4S,5S,6S,7S,8S,9E)-9-[(4S,5S,6S,7S,8S)-hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecan-9-ylidene]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane.

Molecular Properties

Compound Name(4S,5S,6S,7S,8S,9E)-9-[(4S,5S,6S,7S,8S)-hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecan-9-ylidene]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane
PubChem CID134889487
Molecular FormulaC30H32
Molecular Weight392.59 g/mol
Exact Mass392.25
IUPAC Name(4S,5S,6S,7S,8S,9E)-9-[(4S,5S,6S,7S,8S)-hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecan-9-ylidene]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane
SMILESC1CC12C[C@]21C[C@]12C[C@]21C[C@]12C[C@]21C/C1=C1/C[C@]12C[C@]21C[C@]12C[C@]21C[C@]12CC21CC1
InChIInChI=1S/C30H32/c1-2-19(1)7-23(19)11-27(23)15-29(27)13-25(29)9-21(25)5-17(21)18-6-22(18)10-26(22)14-30(26)16-28(30)12-24(28)8-20(24)3-4-20/h1-16H2/b18-17+/t21-,22-,23-,24-,25-,26-,27-,28-,29-,30-/m0/s1
InChIKeyVIZWDHGMQYRFEC-MFMLRJMISA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.59
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4S,5S,6S,7S,8S,9E)-9-[(4S,5S,6S,7S,8S)-hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecan-9-ylidene]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane with MolForge

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Related Compounds

Dispiro[2.0.2.1]heptane, 7-cyclopropylidene-
CID 11062429
10-Trispiro[2.0.24.0.27.13]decan-10-ylidenetrispiro[2.0.24.0.27.13]decane
CID 2751845
7-Dispiro[2.0.24.13]heptan-7-ylidenedispiro[2.0.24.13]heptane
CID 11217645
1-Methyl-1-[1,2,2-tris(1-methylcyclopropyl)vinyl]cyclopropane
CID 13128957
5-Cyclopropylidenedispiro[2.0.24.13]heptane
CID 15656352
(1S,4S,6S,7R,9R,12R,14R,15S)-17,18,19,20-tetramethylheptacyclo[10.4.2.24,9.01,15.04,6.07,9.012,14]icosa-17,19-diene
CID 46919073
12-Hexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecan-12-ylidenehexaspiro[2.0.0.0.26.0.29.05.14.0.213.03]pentadecane
CID 101057423
8-Cyclopropylidenedi-spiro[2.0.2.3]nonane
CID 101177781
trans-(1R,2R)-1-[[(1R,2S)-1,2-dimethyl-2-(3-methylbut-3-enyl)cyclopropyl]methyl]-1,2-dimethyl-2-[[(1R)-1,2,2-trimethylcyclopropyl]methyl]cyclopropane
CID 134865182
15,16-Bis(dispiro[2.0.2.1]hept-7-ylidene)hexaspiro[2.0.2.0.0.0. 2.0.2.0.2.0]hexadecane
CID 139053800
2,7,7-Trimethyl-3-nonylbicyclo[4.1.0]hept-2-ene
CID 178250854
1-(Cyclopropacyclododecan-1-ylidene)cyclopropacyclododecane
CID 543488

Frequently Asked Questions

What is the IUPAC name of (4S,5S,6S,7S,8S,9E)-9-[(4S,5S,6S,7S,8S)-hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecan-9-ylidene]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane?
The IUPAC name of (4S,5S,6S,7S,8S,9E)-9-[(4S,5S,6S,7S,8S)-hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecan-9-ylidene]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane (CID 134889487) is (4S,5S,6S,7S,8S,9E)-9-[(4S,5S,6S,7S,8S)-hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecan-9-ylidene]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane.
What is the SMILES notation for (4S,5S,6S,7S,8S,9E)-9-[(4S,5S,6S,7S,8S)-hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecan-9-ylidene]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane?
The canonical SMILES for (4S,5S,6S,7S,8S,9E)-9-[(4S,5S,6S,7S,8S)-hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecan-9-ylidene]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane is C1CC12C[C@]21C[C@]12C[C@]21C[C@]12C[C@]21C/C1=C1/C[C@]12C[C@]21C[C@]12C[C@]21C[C@]12CC21CC1.
What is the InChIKey of (4S,5S,6S,7S,8S,9E)-9-[(4S,5S,6S,7S,8S)-hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecan-9-ylidene]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane?
The InChIKey is VIZWDHGMQYRFEC-MFMLRJMISA-N. The full InChI is InChI=1S/C30H32/c1-2-19(1)7-23(19)11-27(23)15-29(27)13-25(29)9-21(25)5-17(21)18-6-22(18)10-26(22)14-30(26)16-28(30)12-24(28)8-20(24)3-4-20/h1-16H2/b18-17+/t21-,22-,23-,24-,25-,26-,27-,28-,29-,30-/m0/s1.
What are the key properties of (4S,5S,6S,7S,8S,9E)-9-[(4S,5S,6S,7S,8S)-hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecan-9-ylidene]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane?
(4S,5S,6S,7S,8S,9E)-9-[(4S,5S,6S,7S,8S)-hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecan-9-ylidene]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane has a molecular weight of 392.59 g/mol, XLogP of 6.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S,6S,7S,8S,9E)-9-[(4S,5S,6S,7S,8S)-hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecan-9-ylidene]hexaspiro[2.0.0.0.0.0.28.17.16.15.14.13]pentadecane is sourced from PubChem (CID 134889487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).