(2R,3R,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalene-2,3-diol

C15H24O2 — CID 162871553

IUPAC(2R,3R,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalene-2,3-diol
SMILESC=C(C)[C@@H]1CC[C@]2(C)C[C@@H](O)[C@H](O)C(C)=C2C1
InChIInChI=1S/C15H24O2/c1-9(2)11-5-6-15(4)8-13(16)14(17)10(3)12(15)7-11/h11,13-14,16-17H,1,5-8H2,2-4H3/t11-,13-,14-,15-/m1/s1
InChIKeyZCUSEYRVOQMOAO-NMFUWQPSSA-N
MW236.35 g/mol
LogP2.81
Rot. Bonds1

About (2R,3R,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalene-2,3-diol

(2R,3R,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalene-2,3-diol (PubChem CID 162871553) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (2R,3R,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalene-2,3-diol.

Molecular Properties

Compound Name(2R,3R,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalene-2,3-diol
PubChem CID162871553
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(2R,3R,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalene-2,3-diol
SMILESC=C(C)[C@@H]1CC[C@]2(C)C[C@@H](O)[C@H](O)C(C)=C2C1
InChIInChI=1S/C15H24O2/c1-9(2)11-5-6-15(4)8-13(16)14(17)10(3)12(15)7-11/h11,13-14,16-17H,1,5-8H2,2-4H3/t11-,13-,14-,15-/m1/s1
InChIKeyZCUSEYRVOQMOAO-NMFUWQPSSA-N
XLogP2.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,3R,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalene-2,3-diol with MolForge

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Launch Full Analysis

Related Compounds

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CID 534260
alpha-Cyperol
CID 273569
alpha-Nootkatol
CID 9815881
Albrassitriol
CID 13890776
(1S,2R)-4-[(3R)-3-hydroxybutyl]-3,5,5-trimethylcyclohex-3-ene-1,2-diol
CID 10889671
Cyperol
CID 14076601
2,3,4,4a,5,6,7,8-Octahydro-4,4a-dimethyl-6-(1-methylvinyl)-2-naphthol
CID 103814
2-(4a,8-Dimethyl-1,2,3,4,4a,5,6,7-octahydro-naphthalen-2-yl)-prop-2-en-1-ol
CID 579791
6-Isopropenyl-4,8a-dimethyl-1,2,3,5,6,7,8,8a-octahydro-naphthalen-2-ol
CID 594234
2-Naphthaleneethanol, 1,2,3,4,4a,5,6,7-octahydro-4a,8-dimethyl-beta-methylene-, (2R,4aR)-
CID 91730038

Frequently Asked Questions

What is the IUPAC name of (2R,3R,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalene-2,3-diol?
The IUPAC name of (2R,3R,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalene-2,3-diol (CID 162871553) is (2R,3R,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalene-2,3-diol.
What is the SMILES notation for (2R,3R,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalene-2,3-diol?
The canonical SMILES for (2R,3R,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalene-2,3-diol is C=C(C)[C@@H]1CC[C@]2(C)C[C@@H](O)[C@H](O)C(C)=C2C1.
What is the InChIKey of (2R,3R,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalene-2,3-diol?
The InChIKey is ZCUSEYRVOQMOAO-NMFUWQPSSA-N. The full InChI is InChI=1S/C15H24O2/c1-9(2)11-5-6-15(4)8-13(16)14(17)10(3)12(15)7-11/h11,13-14,16-17H,1,5-8H2,2-4H3/t11-,13-,14-,15-/m1/s1.
What are the key properties of (2R,3R,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalene-2,3-diol?
(2R,3R,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalene-2,3-diol has a molecular weight of 236.35 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalene-2,3-diol is sourced from PubChem (CID 162871553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).