3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-2-ol

C15H24O — CID 162821191

IUPAC3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-2-ol
SMILESCC1=CC2C(=C(C)CCC2C(C)C)CC1O
InChIInChI=1S/C15H24O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h7,9,12,14-16H,5-6,8H2,1-4H3
InChIKeyWEDRSLQTRJEVCH-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.70
Rot. Bonds1

About 3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-2-ol

3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-2-ol (PubChem CID 162821191) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-2-ol.

Molecular Properties

Compound Name3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-2-ol
PubChem CID162821191
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-2-ol
SMILESCC1=CC2C(=C(C)CCC2C(C)C)CC1O
InChIInChI=1S/C15H24O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h7,9,12,14-16H,5-6,8H2,1-4H3
InChIKeyWEDRSLQTRJEVCH-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-2-ol?
The IUPAC name of 3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-2-ol (CID 162821191) is 3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-2-ol.
What is the SMILES notation for 3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-2-ol?
The canonical SMILES for 3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-2-ol is CC1=CC2C(=C(C)CCC2C(C)C)CC1O.
What is the InChIKey of 3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-2-ol?
The InChIKey is WEDRSLQTRJEVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h7,9,12,14-16H,5-6,8H2,1-4H3.
What are the key properties of 3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-2-ol?
3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-2-ol has a molecular weight of 220.36 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-5-propan-2-yl-1,2,4a,5,6,7-hexahydronaphthalen-2-ol is sourced from PubChem (CID 162821191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).