(5S,6S,11Z)-1,6-dimethyl-4-propan-2-yl-7,8,9,10-tetrahydro-5H-benzo[10]annulene-5,6-diol

C19H28O2 — CID 71663051

IUPAC(5S,6S,11Z)-1,6-dimethyl-4-propan-2-yl-7,8,9,10-tetrahydro-5H-benzo[10]annulene-5,6-diol
SMILESCc1ccc(C(C)C)c2c1/C=C\CCCC[C@](C)(O)[C@H]2O
InChIInChI=1S/C19H28O2/c1-13(2)15-11-10-14(3)16-9-7-5-6-8-12-19(4,21)18(20)17(15)16/h7,9-11,13,18,20-21H,5-6,8,12H2,1-4H3/b9-7-/t18-,19-/m0/s1
InChIKeyKXOBEXSEIOGAQO-BDNAOYLZSA-N
MW288.43 g/mol
LogP4.49
Rot. Bonds1

About (5S,6S,11Z)-1,6-dimethyl-4-propan-2-yl-7,8,9,10-tetrahydro-5H-benzo[10]annulene-5,6-diol

(5S,6S,11Z)-1,6-dimethyl-4-propan-2-yl-7,8,9,10-tetrahydro-5H-benzo[10]annulene-5,6-diol (PubChem CID 71663051) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is (5S,6S,11Z)-1,6-dimethyl-4-propan-2-yl-7,8,9,10-tetrahydro-5H-benzo[10]annulene-5,6-diol.

Molecular Properties

Compound Name(5S,6S,11Z)-1,6-dimethyl-4-propan-2-yl-7,8,9,10-tetrahydro-5H-benzo[10]annulene-5,6-diol
PubChem CID71663051
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name(5S,6S,11Z)-1,6-dimethyl-4-propan-2-yl-7,8,9,10-tetrahydro-5H-benzo[10]annulene-5,6-diol
SMILESCc1ccc(C(C)C)c2c1/C=C\CCCC[C@](C)(O)[C@H]2O
InChIInChI=1S/C19H28O2/c1-13(2)15-11-10-14(3)16-9-7-5-6-8-12-19(4,21)18(20)17(15)16/h7,9-11,13,18,20-21H,5-6,8,12H2,1-4H3/b9-7-/t18-,19-/m0/s1
InChIKeyKXOBEXSEIOGAQO-BDNAOYLZSA-N
XLogP4.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5S,6S,11Z)-1,6-dimethyl-4-propan-2-yl-7,8,9,10-tetrahydro-5H-benzo[10]annulene-5,6-diol with MolForge

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Related Compounds

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4,7-dimethyl-1H-indene
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Frequently Asked Questions

What is the IUPAC name of (5S,6S,11Z)-1,6-dimethyl-4-propan-2-yl-7,8,9,10-tetrahydro-5H-benzo[10]annulene-5,6-diol?
The IUPAC name of (5S,6S,11Z)-1,6-dimethyl-4-propan-2-yl-7,8,9,10-tetrahydro-5H-benzo[10]annulene-5,6-diol (CID 71663051) is (5S,6S,11Z)-1,6-dimethyl-4-propan-2-yl-7,8,9,10-tetrahydro-5H-benzo[10]annulene-5,6-diol.
What is the SMILES notation for (5S,6S,11Z)-1,6-dimethyl-4-propan-2-yl-7,8,9,10-tetrahydro-5H-benzo[10]annulene-5,6-diol?
The canonical SMILES for (5S,6S,11Z)-1,6-dimethyl-4-propan-2-yl-7,8,9,10-tetrahydro-5H-benzo[10]annulene-5,6-diol is Cc1ccc(C(C)C)c2c1/C=C\CCCC[C@](C)(O)[C@H]2O.
What is the InChIKey of (5S,6S,11Z)-1,6-dimethyl-4-propan-2-yl-7,8,9,10-tetrahydro-5H-benzo[10]annulene-5,6-diol?
The InChIKey is KXOBEXSEIOGAQO-BDNAOYLZSA-N. The full InChI is InChI=1S/C19H28O2/c1-13(2)15-11-10-14(3)16-9-7-5-6-8-12-19(4,21)18(20)17(15)16/h7,9-11,13,18,20-21H,5-6,8,12H2,1-4H3/b9-7-/t18-,19-/m0/s1.
What are the key properties of (5S,6S,11Z)-1,6-dimethyl-4-propan-2-yl-7,8,9,10-tetrahydro-5H-benzo[10]annulene-5,6-diol?
(5S,6S,11Z)-1,6-dimethyl-4-propan-2-yl-7,8,9,10-tetrahydro-5H-benzo[10]annulene-5,6-diol has a molecular weight of 288.43 g/mol, XLogP of 4.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S,11Z)-1,6-dimethyl-4-propan-2-yl-7,8,9,10-tetrahydro-5H-benzo[10]annulene-5,6-diol is sourced from PubChem (CID 71663051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).