(1'S,8'S)-3',4',5',6'-tetramethylspiro[cyclopentane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene]

C19H24 — CID 98159563

IUPAC(1'S,8'S)-3',4',5',6'-tetramethylspiro[cyclopentane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene]
SMILESCc1c(C)c(C)c2c(c1C)[C@H]1C=C[C@H]2C12CCCC2
InChIInChI=1S/C19H24/c1-11-12(2)14(4)18-16-8-7-15(17(18)13(11)3)19(16)9-5-6-10-19/h7-8,15-16H,5-6,9-10H2,1-4H3/t15-,16-/m1/s1
InChIKeyAOAMPTWZZPMAGW-HZPDHXFCSA-N
MW252.40 g/mol
LogP5.23
Rot. Bonds

About (1'S,8'S)-3',4',5',6'-tetramethylspiro[cyclopentane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene]

(1'S,8'S)-3',4',5',6'-tetramethylspiro[cyclopentane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene] (PubChem CID 98159563) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is (1'S,8'S)-3',4',5',6'-tetramethylspiro[cyclopentane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene].

Molecular Properties

Compound Name(1'S,8'S)-3',4',5',6'-tetramethylspiro[cyclopentane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene]
PubChem CID98159563
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name(1'S,8'S)-3',4',5',6'-tetramethylspiro[cyclopentane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene]
SMILESCc1c(C)c(C)c2c(c1C)[C@H]1C=C[C@H]2C12CCCC2
InChIInChI=1S/C19H24/c1-11-12(2)14(4)18-16-8-7-15(17(18)13(11)3)19(16)9-5-6-10-19/h7-8,15-16H,5-6,9-10H2,1-4H3/t15-,16-/m1/s1
InChIKeyAOAMPTWZZPMAGW-HZPDHXFCSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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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,7'R)-spiro[cyclopentane-1,10'-tricyclo[5.2.1.02,6]deca-2(6),8-diene]
CID 10511779
1,2-dimethylspiro[2.4]heptane
CID 58548907
1,1-di(cyclopenta-2,4-dien-1-yl)cycloheptane
CID 102217747
(5R,11S)-spiro[5.5]undecane-5,11-diol
CID 10997722
(2,2-dimethylcyclohexyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 107176215
3-cycloheptyl-1-[1-(3-cycloheptyl-1H-inden-1-yl)cyclohexyl]-1H-indene
CID 22595440
11',12',26',27',28',29'-hexamethylspiro[cyclopentane-1,18'-undecacyclo[21.8.1.110,13.02,22.03,21.05,19.06,17.08,15.09,14.024,31.025,30]tritriaconta-3(21),4,6,8(15),16,19,25,27,29-nonaene]
CID 166511277
2-cyclopentyl-6-hydroxy-3,4,5-trimethylbenzoic acid
CID 88669174
(4S,5R)-spiro[4.5]decane-4,10-diol
CID 135069767
(4S,5R,10R)-spiro[4.5]decane-4,10-diol
CID 14934378
3-bromo-1-(2,3,6-trimethylphenoxy)spiro[3.6]decane
CID 66345969

Frequently Asked Questions

What is the IUPAC name of (1'S,8'S)-3',4',5',6'-tetramethylspiro[cyclopentane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene]?
The IUPAC name of (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) is (1'S,8'S)-3',4',5',6'-tetramethylspiro[cyclopentane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene].
What is the SMILES notation for (1'S,8'S)-3',4',5',6'-tetramethylspiro[cyclopentane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene]?
The canonical SMILES for (1'S,8'S)-3',4',5',6'-tetramethylspiro[cyclopentane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene] is Cc1c(C)c(C)c2c(c1C)[C@H]1C=C[C@H]2C12CCCC2.
What is the InChIKey of (1'S,8'S)-3',4',5',6'-tetramethylspiro[cyclopentane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene]?
The InChIKey is AOAMPTWZZPMAGW-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H24/c1-11-12(2)14(4)18-16-8-7-15(17(18)13(11)3)19(16)9-5-6-10-19/h7-8,15-16H,5-6,9-10H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of (1'S,8'S)-3',4',5',6'-tetramethylspiro[cyclopentane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene]?
(1'S,8'S)-3',4',5',6'-tetramethylspiro[cyclopentane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene] has a molecular weight of 252.40 g/mol, XLogP of 5.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,8'S)-3',4',5',6'-tetramethylspiro[cyclopentane-1,11'-tricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene] is sourced from PubChem (CID 98159563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).