(1'S,7'R)-spiro[cyclopentane-1,10'-tricyclo[5.2.1.02,6]deca-2(6),8-diene]

C14H18 — CID 10511779

IUPAC(1'S,7'R)-spiro[cyclopentane-1,10'-tricyclo[5.2.1.02,6]deca-2(6),8-diene]
SMILESC1=C[C@H]2C3=C(CCC3)[C@@H]1C21CCCC1
InChIInChI=1S/C14H18/c1-2-9-14(8-1)12-6-7-13(14)11-5-3-4-10(11)12/h6-7,12-13H,1-5,8-9H2/t12-,13+
InChIKeyUKWXDDWELKMCPV-BETUJISGSA-N
MW186.30 g/mol
LogP3.84
Rot. Bonds

About (1'S,7'R)-spiro[cyclopentane-1,10'-tricyclo[5.2.1.02,6]deca-2(6),8-diene]

(1'S,7'R)-spiro[cyclopentane-1,10'-tricyclo[5.2.1.02,6]deca-2(6),8-diene] (PubChem CID 10511779) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is (1'S,7'R)-spiro[cyclopentane-1,10'-tricyclo[5.2.1.02,6]deca-2(6),8-diene].

Molecular Properties

Compound Name(1'S,7'R)-spiro[cyclopentane-1,10'-tricyclo[5.2.1.02,6]deca-2(6),8-diene]
PubChem CID10511779
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name(1'S,7'R)-spiro[cyclopentane-1,10'-tricyclo[5.2.1.02,6]deca-2(6),8-diene]
SMILESC1=C[C@H]2C3=C(CCC3)[C@@H]1C21CCCC1
InChIInChI=1S/C14H18/c1-2-9-14(8-1)12-6-7-13(14)11-5-3-4-10(11)12/h6-7,12-13H,1-5,8-9H2/t12-,13+
InChIKeyUKWXDDWELKMCPV-BETUJISGSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1'S,7'R)-spiro[cyclopentane-1,10'-tricyclo[5.2.1.02,6]deca-2(6),8-diene] with MolForge

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Related Compounds

(1'S,8'R)-3',4',5',6'-tetramethylspiro[cyclopentane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene]
CID 95564238
(1'S,8'S)-3',4',5',6'-tetramethylspiro[cyclopentane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene]
CID 98159563
1,1-di(cyclopenta-2,4-dien-1-yl)cycloheptane
CID 102217747
1,2-dimethylspiro[2.4]heptane
CID 58548907
dispiro[5.1.58.16]tetradecane-7,14-diol
CID 21492522
3-cycloheptyl-1-[1-(3-cycloheptyl-1H-inden-1-yl)cyclohexyl]-1H-indene
CID 22595440
N-(3-ethoxyspiro[3.4]octan-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 64863853
(5R,11S)-spiro[5.5]undecane-5,11-diol
CID 10997722
1,1-di(cyclooctyl)cyclooctane
CID 23107007
(1S,7R)-tricyclo[5.2.1.02,6]dec-2(6)-ene
CID 13425243
(1R,5R,9R,14R)-tricyclo[7.4.1.01,5]tetradec-6-en-14-ol
CID 139041913
1,2,3,3a,6,7,8,8b-octahydro-as-indacene
CID 140735551

Frequently Asked Questions

What is the IUPAC name of (1'S,7'R)-spiro[cyclopentane-1,10'-tricyclo[5.2.1.02,6]deca-2(6),8-diene]?
The IUPAC name of (1'S,7'R)-spiro[cyclopentane-1,10'-tricyclo[5.2.1.02,6]deca-2(6),8-diene] (CID 10511779) is (1'S,7'R)-spiro[cyclopentane-1,10'-tricyclo[5.2.1.02,6]deca-2(6),8-diene].
What is the SMILES notation for (1'S,7'R)-spiro[cyclopentane-1,10'-tricyclo[5.2.1.02,6]deca-2(6),8-diene]?
The canonical SMILES for (1'S,7'R)-spiro[cyclopentane-1,10'-tricyclo[5.2.1.02,6]deca-2(6),8-diene] is C1=C[C@H]2C3=C(CCC3)[C@@H]1C21CCCC1.
What is the InChIKey of (1'S,7'R)-spiro[cyclopentane-1,10'-tricyclo[5.2.1.02,6]deca-2(6),8-diene]?
The InChIKey is UKWXDDWELKMCPV-BETUJISGSA-N. The full InChI is InChI=1S/C14H18/c1-2-9-14(8-1)12-6-7-13(14)11-5-3-4-10(11)12/h6-7,12-13H,1-5,8-9H2/t12-,13+.
What are the key properties of (1'S,7'R)-spiro[cyclopentane-1,10'-tricyclo[5.2.1.02,6]deca-2(6),8-diene]?
(1'S,7'R)-spiro[cyclopentane-1,10'-tricyclo[5.2.1.02,6]deca-2(6),8-diene] has a molecular weight of 186.30 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,7'R)-spiro[cyclopentane-1,10'-tricyclo[5.2.1.02,6]deca-2(6),8-diene] is sourced from PubChem (CID 10511779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).