2,5,5,8a-tetramethyl-1-prop-2-enyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

C17H30O — CID 14380806

IUPAC2,5,5,8a-tetramethyl-1-prop-2-enyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
SMILESC=CCC1C(C)(O)CCC2C(C)(C)CCCC21C
InChIInChI=1S/C17H30O/c1-6-8-14-16(4)11-7-10-15(2,3)13(16)9-12-17(14,5)18/h6,13-14,18H,1,7-12H2,2-5H3
InChIKeyYIOCHJGJMABAAA-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.56
Rot. Bonds2

About 2,5,5,8a-tetramethyl-1-prop-2-enyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol

2,5,5,8a-tetramethyl-1-prop-2-enyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol (PubChem CID 14380806) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 2,5,5,8a-tetramethyl-1-prop-2-enyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name2,5,5,8a-tetramethyl-1-prop-2-enyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
PubChem CID14380806
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name2,5,5,8a-tetramethyl-1-prop-2-enyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
SMILESC=CCC1C(C)(O)CCC2C(C)(C)CCCC21C
InChIInChI=1S/C17H30O/c1-6-8-14-16(4)11-7-10-15(2,3)13(16)9-12-17(14,5)18/h6,13-14,18H,1,7-12H2,2-5H3
InChIKeyYIOCHJGJMABAAA-UHFFFAOYSA-N
XLogP4.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.56
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 2,5,5,8a-tetramethyl-1-prop-2-enyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol?
The IUPAC name of 2,5,5,8a-tetramethyl-1-prop-2-enyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol (CID 14380806) is 2,5,5,8a-tetramethyl-1-prop-2-enyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol.
What is the SMILES notation for 2,5,5,8a-tetramethyl-1-prop-2-enyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol?
The canonical SMILES for 2,5,5,8a-tetramethyl-1-prop-2-enyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol is C=CCC1C(C)(O)CCC2C(C)(C)CCCC21C.
What is the InChIKey of 2,5,5,8a-tetramethyl-1-prop-2-enyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol?
The InChIKey is YIOCHJGJMABAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-6-8-14-16(4)11-7-10-15(2,3)13(16)9-12-17(14,5)18/h6,13-14,18H,1,7-12H2,2-5H3.
What are the key properties of 2,5,5,8a-tetramethyl-1-prop-2-enyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol?
2,5,5,8a-tetramethyl-1-prop-2-enyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol has a molecular weight of 250.43 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5,8a-tetramethyl-1-prop-2-enyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol is sourced from PubChem (CID 14380806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).