(2R)-2-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-2,7-dimethylchromen-5-ol

C22H30O2 — CID 162913578

IUPAC(2R)-2-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-2,7-dimethylchromen-5-ol
SMILESC=C1CCCC(C)(C)[C@H]1CC[C@]1(C)C=Cc2c(O)cc(C)cc2O1
InChIInChI=1S/C22H30O2/c1-15-13-19(23)17-8-11-22(5,24-20(17)14-15)12-9-18-16(2)7-6-10-21(18,3)4/h8,11,13-14,18,23H,2,6-7,9-10,12H2,1,3-5H3/t18-,22-/m0/s1
InChIKeyJOKAIAHFMWOSIK-AVRDEDQJSA-N
MW326.48 g/mol
LogP6.03
Rot. Bonds3

About (2R)-2-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-2,7-dimethylchromen-5-ol

(2R)-2-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-2,7-dimethylchromen-5-ol (PubChem CID 162913578) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is (2R)-2-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-2,7-dimethylchromen-5-ol.

Molecular Properties

Compound Name(2R)-2-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-2,7-dimethylchromen-5-ol
PubChem CID162913578
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name(2R)-2-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-2,7-dimethylchromen-5-ol
SMILESC=C1CCCC(C)(C)[C@H]1CC[C@]1(C)C=Cc2c(O)cc(C)cc2O1
InChIInChI=1S/C22H30O2/c1-15-13-19(23)17-8-11-22(5,24-20(17)14-15)12-9-18-16(2)7-6-10-21(18,3)4/h8,11,13-14,18,23H,2,6-7,9-10,12H2,1,3-5H3/t18-,22-/m0/s1
InChIKeyJOKAIAHFMWOSIK-AVRDEDQJSA-N
XLogP6.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-2,7-dimethylchromen-5-ol?
The IUPAC name of (2R)-2-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-2,7-dimethylchromen-5-ol (CID 162913578) is (2R)-2-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-2,7-dimethylchromen-5-ol.
What is the SMILES notation for (2R)-2-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-2,7-dimethylchromen-5-ol?
The canonical SMILES for (2R)-2-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-2,7-dimethylchromen-5-ol is C=C1CCCC(C)(C)[C@H]1CC[C@]1(C)C=Cc2c(O)cc(C)cc2O1.
What is the InChIKey of (2R)-2-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-2,7-dimethylchromen-5-ol?
The InChIKey is JOKAIAHFMWOSIK-AVRDEDQJSA-N. The full InChI is InChI=1S/C22H30O2/c1-15-13-19(23)17-8-11-22(5,24-20(17)14-15)12-9-18-16(2)7-6-10-21(18,3)4/h8,11,13-14,18,23H,2,6-7,9-10,12H2,1,3-5H3/t18-,22-/m0/s1.
What are the key properties of (2R)-2-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-2,7-dimethylchromen-5-ol?
(2R)-2-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-2,7-dimethylchromen-5-ol has a molecular weight of 326.48 g/mol, XLogP of 6.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]ethyl]-2,7-dimethylchromen-5-ol is sourced from PubChem (CID 162913578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).