(9aR)-9-cyclohexyl-10,10-dimethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-anthracene

C22H38 — CID 140752694

IUPAC(9aR)-9-cyclohexyl-10,10-dimethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-anthracene
SMILESCC1(C)C2CCCCC2C(C2CCCCC2)[C@H]2CCCCC21
InChIInChI=1S/C22H38/c1-22(2)19-14-8-6-12-17(19)21(16-10-4-3-5-11-16)18-13-7-9-15-20(18)22/h16-21H,3-15H2,1-2H3/t17-,18?,19?,20?,21?/m0/s1
InChIKeyZSHSNHRSBCDAGS-OXAFFQKASA-N
MW302.55 g/mol
LogP6.84
Rot. Bonds1

About (9aR)-9-cyclohexyl-10,10-dimethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-anthracene

(9aR)-9-cyclohexyl-10,10-dimethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-anthracene (PubChem CID 140752694) has the molecular formula C22H38 and a molecular weight of 302.55 g/mol. Its IUPAC name is (9aR)-9-cyclohexyl-10,10-dimethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-anthracene.

Molecular Properties

Compound Name(9aR)-9-cyclohexyl-10,10-dimethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-anthracene
PubChem CID140752694
Molecular FormulaC22H38
Molecular Weight302.55 g/mol
Exact Mass302.30
IUPAC Name(9aR)-9-cyclohexyl-10,10-dimethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-anthracene
SMILESCC1(C)C2CCCCC2C(C2CCCCC2)[C@H]2CCCCC21
InChIInChI=1S/C22H38/c1-22(2)19-14-8-6-12-17(19)21(16-10-4-3-5-11-16)18-13-7-9-15-20(18)22/h16-21H,3-15H2,1-2H3/t17-,18?,19?,20?,21?/m0/s1
InChIKeyZSHSNHRSBCDAGS-OXAFFQKASA-N
XLogP6.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.55
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (9aR)-9-cyclohexyl-10,10-dimethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-anthracene with MolForge

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Related Compounds

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9-bromo-10-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
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CID 59124996
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CID 173480325
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4-[4-(10-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-yl)cyclohexyl]cyclohexan-1-ol
CID 143426222
11,13-dimethyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene
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2-[3,5-bis(9,9-dimethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluoren-2-yl)cyclohexyl]-9-ethyl-9-methyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrofluorene
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Frequently Asked Questions

What is the IUPAC name of (9aR)-9-cyclohexyl-10,10-dimethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-anthracene?
The IUPAC name of (9aR)-9-cyclohexyl-10,10-dimethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-anthracene (CID 140752694) is (9aR)-9-cyclohexyl-10,10-dimethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-anthracene.
What is the SMILES notation for (9aR)-9-cyclohexyl-10,10-dimethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-anthracene?
The canonical SMILES for (9aR)-9-cyclohexyl-10,10-dimethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-anthracene is CC1(C)C2CCCCC2C(C2CCCCC2)[C@H]2CCCCC21.
What is the InChIKey of (9aR)-9-cyclohexyl-10,10-dimethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-anthracene?
The InChIKey is ZSHSNHRSBCDAGS-OXAFFQKASA-N. The full InChI is InChI=1S/C22H38/c1-22(2)19-14-8-6-12-17(19)21(16-10-4-3-5-11-16)18-13-7-9-15-20(18)22/h16-21H,3-15H2,1-2H3/t17-,18?,19?,20?,21?/m0/s1.
What are the key properties of (9aR)-9-cyclohexyl-10,10-dimethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-anthracene?
(9aR)-9-cyclohexyl-10,10-dimethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-anthracene has a molecular weight of 302.55 g/mol, XLogP of 6.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-9-cyclohexyl-10,10-dimethyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-anthracene is sourced from PubChem (CID 140752694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).