(9S,15R,20R)-10,14-dimethyl-12-methylidenepentacyclo[11.8.0.02,11.04,9.015,20]henicosane

C24H38 — CID 162288141

IUPAC(9S,15R,20R)-10,14-dimethyl-12-methylidenepentacyclo[11.8.0.02,11.04,9.015,20]henicosane
SMILESC=C1C2C(CC3CCCC[C@@H]3C2C)C2C[C@H]3CCCC[C@H]3C(C)C12
InChIInChI=1S/C24H38/c1-14-19-10-6-4-8-17(19)12-21-22-13-18-9-5-7-11-20(18)15(2)24(22)16(3)23(14)21/h14-15,17-24H,3-13H2,1-2H3/t14?,15?,17-,18?,19+,20-,21?,22?,23?,24?/m1/s1
InChIKeyCKVKBKWJOWTYGX-YZINMORLSA-N
MW326.57 g/mol
LogP6.71
Rot. Bonds

About (9S,15R,20R)-10,14-dimethyl-12-methylidenepentacyclo[11.8.0.02,11.04,9.015,20]henicosane

(9S,15R,20R)-10,14-dimethyl-12-methylidenepentacyclo[11.8.0.02,11.04,9.015,20]henicosane (PubChem CID 162288141) has the molecular formula C24H38 and a molecular weight of 326.57 g/mol. Its IUPAC name is (9S,15R,20R)-10,14-dimethyl-12-methylidenepentacyclo[11.8.0.02,11.04,9.015,20]henicosane.

Molecular Properties

Compound Name(9S,15R,20R)-10,14-dimethyl-12-methylidenepentacyclo[11.8.0.02,11.04,9.015,20]henicosane
PubChem CID162288141
Molecular FormulaC24H38
Molecular Weight326.57 g/mol
Exact Mass326.30
IUPAC Name(9S,15R,20R)-10,14-dimethyl-12-methylidenepentacyclo[11.8.0.02,11.04,9.015,20]henicosane
SMILESC=C1C2C(CC3CCCC[C@@H]3C2C)C2C[C@H]3CCCC[C@H]3C(C)C12
InChIInChI=1S/C24H38/c1-14-19-10-6-4-8-17(19)12-21-22-13-18-9-5-7-11-20(18)15(2)24(22)16(3)23(14)21/h14-15,17-24H,3-13H2,1-2H3/t14?,15?,17-,18?,19+,20-,21?,22?,23?,24?/m1/s1
InChIKeyCKVKBKWJOWTYGX-YZINMORLSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.57
LogP ≤ 56.71
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

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CID 162283929
(5aR,9aR)-2-ethyl-3,5-dimethyl-4-methylidene-1,2,3,3a,4a,5,5a,6,7,8,9,9a,10,10a,11,11a-hexadecahydrocyclopenta[b]anthracene
CID 162302290
(3R,8R)-14-ethyl-9,13-dimethyl-12-methylidenetetracyclo[8.6.0.03,8.011,15]hexadecane
CID 162277758
(1S,2S,3aR,7aR)-1,2-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;cyclohexane
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CID 123960499
1-ethyl-2,3,4-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
CID 162289049
2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 21972
1-methoxy-3-methyl-3,3a,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f][2]benzofuran-4-one;1-methoxy-3-methyl-4-methylidene-3,3a,4a,5,6,7,8,8a,9,9a-decahydro-1H-benzo[f][2]benzofuran
CID 159619787
1,3-dimethyl-1,2,3,3a,4,4a,5,6,7,8,8a,8b-dodecahydrocyclopenta[a]indene
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CID 123788030
1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 565551

Frequently Asked Questions

What is the IUPAC name of (9S,15R,20R)-10,14-dimethyl-12-methylidenepentacyclo[11.8.0.02,11.04,9.015,20]henicosane?
The IUPAC name of (9S,15R,20R)-10,14-dimethyl-12-methylidenepentacyclo[11.8.0.02,11.04,9.015,20]henicosane (CID 162288141) is (9S,15R,20R)-10,14-dimethyl-12-methylidenepentacyclo[11.8.0.02,11.04,9.015,20]henicosane.
What is the SMILES notation for (9S,15R,20R)-10,14-dimethyl-12-methylidenepentacyclo[11.8.0.02,11.04,9.015,20]henicosane?
The canonical SMILES for (9S,15R,20R)-10,14-dimethyl-12-methylidenepentacyclo[11.8.0.02,11.04,9.015,20]henicosane is C=C1C2C(CC3CCCC[C@@H]3C2C)C2C[C@H]3CCCC[C@H]3C(C)C12.
What is the InChIKey of (9S,15R,20R)-10,14-dimethyl-12-methylidenepentacyclo[11.8.0.02,11.04,9.015,20]henicosane?
The InChIKey is CKVKBKWJOWTYGX-YZINMORLSA-N. The full InChI is InChI=1S/C24H38/c1-14-19-10-6-4-8-17(19)12-21-22-13-18-9-5-7-11-20(18)15(2)24(22)16(3)23(14)21/h14-15,17-24H,3-13H2,1-2H3/t14?,15?,17-,18?,19+,20-,21?,22?,23?,24?/m1/s1.
What are the key properties of (9S,15R,20R)-10,14-dimethyl-12-methylidenepentacyclo[11.8.0.02,11.04,9.015,20]henicosane?
(9S,15R,20R)-10,14-dimethyl-12-methylidenepentacyclo[11.8.0.02,11.04,9.015,20]henicosane has a molecular weight of 326.57 g/mol, XLogP of 6.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (9S,15R,20R)-10,14-dimethyl-12-methylidenepentacyclo[11.8.0.02,11.04,9.015,20]henicosane is sourced from PubChem (CID 162288141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).