(6aR,10aR)-6,6-dimethyl-9-methylidene-3-propyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol

C19H26O2 — CID 15114763

IUPAC(6aR,10aR)-6,6-dimethyl-9-methylidene-3-propyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol
SMILESC=C1CC[C@@H]2[C@@H](C1)c1c(O)cc(CCC)cc1OC2(C)C
InChIInChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h10-11,14-15,20H,2,5-9H2,1,3-4H3/t14-,15-/m1/s1
InChIKeyZCVYXVHFOBOOMS-HUUCEWRRSA-N
MW286.42 g/mol
LogP4.96
Rot. Bonds2

About (6aR,10aR)-6,6-dimethyl-9-methylidene-3-propyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol

(6aR,10aR)-6,6-dimethyl-9-methylidene-3-propyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol (PubChem CID 15114763) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is (6aR,10aR)-6,6-dimethyl-9-methylidene-3-propyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol.

Molecular Properties

Compound Name(6aR,10aR)-6,6-dimethyl-9-methylidene-3-propyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol
PubChem CID15114763
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name(6aR,10aR)-6,6-dimethyl-9-methylidene-3-propyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol
SMILESC=C1CC[C@@H]2[C@@H](C1)c1c(O)cc(CCC)cc1OC2(C)C
InChIInChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h10-11,14-15,20H,2,5-9H2,1,3-4H3/t14-,15-/m1/s1
InChIKeyZCVYXVHFOBOOMS-HUUCEWRRSA-N
XLogP4.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.96
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 (6aR,10aR)-6,6-dimethyl-9-methylidene-3-propyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol?
The IUPAC name of (6aR,10aR)-6,6-dimethyl-9-methylidene-3-propyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol (CID 15114763) is (6aR,10aR)-6,6-dimethyl-9-methylidene-3-propyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol.
What is the SMILES notation for (6aR,10aR)-6,6-dimethyl-9-methylidene-3-propyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol?
The canonical SMILES for (6aR,10aR)-6,6-dimethyl-9-methylidene-3-propyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol is C=C1CC[C@@H]2[C@@H](C1)c1c(O)cc(CCC)cc1OC2(C)C.
What is the InChIKey of (6aR,10aR)-6,6-dimethyl-9-methylidene-3-propyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol?
The InChIKey is ZCVYXVHFOBOOMS-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H26O2/c1-5-6-13-10-16(20)18-14-9-12(2)7-8-15(14)19(3,4)21-17(18)11-13/h10-11,14-15,20H,2,5-9H2,1,3-4H3/t14-,15-/m1/s1.
What are the key properties of (6aR,10aR)-6,6-dimethyl-9-methylidene-3-propyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol?
(6aR,10aR)-6,6-dimethyl-9-methylidene-3-propyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol has a molecular weight of 286.42 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,10aR)-6,6-dimethyl-9-methylidene-3-propyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-1-ol is sourced from PubChem (CID 15114763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).