(7R,10R)-12,15-dimethylheptacyclo[8.6.0.02,9.03,8.04,7.011,16.012,15]hexadec-5-ene

C18H22 — CID 142299213

IUPAC(7R,10R)-12,15-dimethylheptacyclo[8.6.0.02,9.03,8.04,7.011,16.012,15]hexadec-5-ene
SMILESCC12CCC1(C)C1C2C2C3C4C5C=C[C@H]5C4C3[C@H]21
InChIInChI=1S/C18H22/c1-17-5-6-18(17,2)16-14-12-10-8-4-3-7(8)9(10)11(12)13(14)15(16)17/h3-4,7-16H,5-6H2,1-2H3/t7-,8?,9?,10?,11?,12?,13-,14?,15?,16?,17?,18?/m1/s1
InChIKeyYUGVIRLJSBRFMQ-BAGMDFDBSA-N
MW238.37 g/mol
LogP3.59
Rot. Bonds

About (7R,10R)-12,15-dimethylheptacyclo[8.6.0.02,9.03,8.04,7.011,16.012,15]hexadec-5-ene

(7R,10R)-12,15-dimethylheptacyclo[8.6.0.02,9.03,8.04,7.011,16.012,15]hexadec-5-ene (PubChem CID 142299213) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is (7R,10R)-12,15-dimethylheptacyclo[8.6.0.02,9.03,8.04,7.011,16.012,15]hexadec-5-ene.

Molecular Properties

Compound Name(7R,10R)-12,15-dimethylheptacyclo[8.6.0.02,9.03,8.04,7.011,16.012,15]hexadec-5-ene
PubChem CID142299213
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name(7R,10R)-12,15-dimethylheptacyclo[8.6.0.02,9.03,8.04,7.011,16.012,15]hexadec-5-ene
SMILESCC12CCC1(C)C1C2C2C3C4C5C=C[C@H]5C4C3[C@H]21
InChIInChI=1S/C18H22/c1-17-5-6-18(17,2)16-14-12-10-8-4-3-7(8)9(10)11(12)13(14)15(16)17/h3-4,7-16H,5-6H2,1-2H3/t7-,8?,9?,10?,11?,12?,13-,14?,15?,16?,17?,18?/m1/s1
InChIKeyYUGVIRLJSBRFMQ-BAGMDFDBSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 129431343
(3R,12S,18R,25R)-undecacyclo[14.10.2.26,10.220,24.02,15.03,12.04,11.05,7.017,26.018,25.019,21]dotriaconta-8,13,22,27,29,31-hexaene
CID 101488483
(1S,2R,5R,6S,7R,8R,9S,10S)-8,9-dichlorotetracyclo[4.4.2.02,5.07,10]dodeca-3,11-diene
CID 124920621
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CID 101404891
3,3,4-trifluoro-4-methyltricyclo[4.2.1.02,5]non-7-ene
CID 58957734
6,6-dimethylcyclohex-2-en-1-ol
CID 550886
(1R,2S,7S,8S,9R,11R)-2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecane-8,11-diol
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CID 98519509
CID 98519509
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Frequently Asked Questions

What is the IUPAC name of (7R,10R)-12,15-dimethylheptacyclo[8.6.0.02,9.03,8.04,7.011,16.012,15]hexadec-5-ene?
The IUPAC name of (7R,10R)-12,15-dimethylheptacyclo[8.6.0.02,9.03,8.04,7.011,16.012,15]hexadec-5-ene (CID 142299213) is (7R,10R)-12,15-dimethylheptacyclo[8.6.0.02,9.03,8.04,7.011,16.012,15]hexadec-5-ene.
What is the SMILES notation for (7R,10R)-12,15-dimethylheptacyclo[8.6.0.02,9.03,8.04,7.011,16.012,15]hexadec-5-ene?
The canonical SMILES for (7R,10R)-12,15-dimethylheptacyclo[8.6.0.02,9.03,8.04,7.011,16.012,15]hexadec-5-ene is CC12CCC1(C)C1C2C2C3C4C5C=C[C@H]5C4C3[C@H]21.
What is the InChIKey of (7R,10R)-12,15-dimethylheptacyclo[8.6.0.02,9.03,8.04,7.011,16.012,15]hexadec-5-ene?
The InChIKey is YUGVIRLJSBRFMQ-BAGMDFDBSA-N. The full InChI is InChI=1S/C18H22/c1-17-5-6-18(17,2)16-14-12-10-8-4-3-7(8)9(10)11(12)13(14)15(16)17/h3-4,7-16H,5-6H2,1-2H3/t7-,8?,9?,10?,11?,12?,13-,14?,15?,16?,17?,18?/m1/s1.
What are the key properties of (7R,10R)-12,15-dimethylheptacyclo[8.6.0.02,9.03,8.04,7.011,16.012,15]hexadec-5-ene?
(7R,10R)-12,15-dimethylheptacyclo[8.6.0.02,9.03,8.04,7.011,16.012,15]hexadec-5-ene has a molecular weight of 238.37 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7R,10R)-12,15-dimethylheptacyclo[8.6.0.02,9.03,8.04,7.011,16.012,15]hexadec-5-ene is sourced from PubChem (CID 142299213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).