(2S,8R)-2,5-dimethyl-8-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ol

C15H26O — CID 91748877

IUPAC(2S,8R)-2,5-dimethyl-8-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ol
SMILESCC1CC[C@H](C(C)C)C2=C[C@@](C)(O)CCC21
InChIInChI=1S/C15H26O/c1-10(2)12-6-5-11(3)13-7-8-15(4,16)9-14(12)13/h9-13,16H,5-8H2,1-4H3/t11?,12-,13?,15+/m1/s1
InChIKeyIHEUASSNMSDWFX-CTBQFLBTSA-N
MW222.37 g/mol
LogP3.78
Rot. Bonds1

About (2S,8R)-2,5-dimethyl-8-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ol

(2S,8R)-2,5-dimethyl-8-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ol (PubChem CID 91748877) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (2S,8R)-2,5-dimethyl-8-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ol.

Molecular Properties

Compound Name(2S,8R)-2,5-dimethyl-8-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ol
PubChem CID91748877
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(2S,8R)-2,5-dimethyl-8-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ol
SMILESCC1CC[C@H](C(C)C)C2=C[C@@](C)(O)CCC21
InChIInChI=1S/C15H26O/c1-10(2)12-6-5-11(3)13-7-8-15(4,16)9-14(12)13/h9-13,16H,5-8H2,1-4H3/t11?,12-,13?,15+/m1/s1
InChIKeyIHEUASSNMSDWFX-CTBQFLBTSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(1R,4S,4aR)-4-methyl-7-methylidene-1-propan-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene
CID 10750739
7'-methoxy-4,6',8',8'-tetramethyl-1,4'-di(propan-2-yl)spiro[2,3,4,4a,5,6-hexahydro-1H-naphthalene-7,2'-3,4-dihydrochromene]-5'-one
CID 162925076
[(2R,4aS,5R,8S)-8-[(2R)-1-ethoxycarbonyloxy-1-oxopropan-2-yl]-2,5-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-yl]oxyoxidanium
CID 134949415
2-methylidene-1,3-di(propan-2-yl)cyclopentane
CID 58567630
3-hydroxy-3-methyl-6-propan-2-ylcyclohexane-1,2-dione
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2-(1-hydroxyethyl)-3-methyl-6-propan-2-ylcyclohexan-1-one
CID 23443087
(4S,5E,7S)-4-methyl-10-methylidene-7-propan-2-ylcyclodec-5-ene-1,4-diol
CID 177427018
(1S,2E,4S,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol
CID 11148775
1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol
CID 522445
(1S,2E,4R,7E)-1,7-dimethyl-4-propan-2-ylcyclodeca-2,7-dien-1-ol
CID 162957245
(1R,2S,5R,8S)-2,8-dimethyl-5-propan-2-yl-9,10-dioxatricyclo[6.2.2.01,6]dodec-6-ene
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Frequently Asked Questions

What is the IUPAC name of (2S,8R)-2,5-dimethyl-8-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ol?
The IUPAC name of (2S,8R)-2,5-dimethyl-8-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ol (CID 91748877) is (2S,8R)-2,5-dimethyl-8-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ol.
What is the SMILES notation for (2S,8R)-2,5-dimethyl-8-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ol?
The canonical SMILES for (2S,8R)-2,5-dimethyl-8-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ol is CC1CC[C@H](C(C)C)C2=C[C@@](C)(O)CCC21.
What is the InChIKey of (2S,8R)-2,5-dimethyl-8-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ol?
The InChIKey is IHEUASSNMSDWFX-CTBQFLBTSA-N. The full InChI is InChI=1S/C15H26O/c1-10(2)12-6-5-11(3)13-7-8-15(4,16)9-14(12)13/h9-13,16H,5-8H2,1-4H3/t11?,12-,13?,15+/m1/s1.
What are the key properties of (2S,8R)-2,5-dimethyl-8-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ol?
(2S,8R)-2,5-dimethyl-8-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ol has a molecular weight of 222.37 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,8R)-2,5-dimethyl-8-propan-2-yl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-ol is sourced from PubChem (CID 91748877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).