1,1,2,3,3-pentamethyl-5-prop-2-enyl-3a,4,5,6,7,7a-hexahydro-2H-inden-4-ol

C17H30O — CID 18008828

IUPAC1,1,2,3,3-pentamethyl-5-prop-2-enyl-3a,4,5,6,7,7a-hexahydro-2H-inden-4-ol
SMILESC=CCC1CCC2C(C1O)C(C)(C)C(C)C2(C)C
InChIInChI=1S/C17H30O/c1-7-8-12-9-10-13-14(15(12)18)17(5,6)11(2)16(13,3)4/h7,11-15,18H,1,8-10H2,2-6H3
InChIKeyXNGMPTNJRRSETR-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.27
Rot. Bonds2

About 1,1,2,3,3-pentamethyl-5-prop-2-enyl-3a,4,5,6,7,7a-hexahydro-2H-inden-4-ol

1,1,2,3,3-pentamethyl-5-prop-2-enyl-3a,4,5,6,7,7a-hexahydro-2H-inden-4-ol (PubChem CID 18008828) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 1,1,2,3,3-pentamethyl-5-prop-2-enyl-3a,4,5,6,7,7a-hexahydro-2H-inden-4-ol.

Molecular Properties

Compound Name1,1,2,3,3-pentamethyl-5-prop-2-enyl-3a,4,5,6,7,7a-hexahydro-2H-inden-4-ol
PubChem CID18008828
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name1,1,2,3,3-pentamethyl-5-prop-2-enyl-3a,4,5,6,7,7a-hexahydro-2H-inden-4-ol
SMILESC=CCC1CCC2C(C1O)C(C)(C)C(C)C2(C)C
InChIInChI=1S/C17H30O/c1-7-8-12-9-10-13-14(15(12)18)17(5,6)11(2)16(13,3)4/h7,11-15,18H,1,8-10H2,2-6H3
InChIKeyXNGMPTNJRRSETR-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
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 1,1,2,3,3-pentamethyl-5-prop-2-enyl-3a,4,5,6,7,7a-hexahydro-2H-inden-4-ol?
The IUPAC name of 1,1,2,3,3-pentamethyl-5-prop-2-enyl-3a,4,5,6,7,7a-hexahydro-2H-inden-4-ol (CID 18008828) is 1,1,2,3,3-pentamethyl-5-prop-2-enyl-3a,4,5,6,7,7a-hexahydro-2H-inden-4-ol.
What is the SMILES notation for 1,1,2,3,3-pentamethyl-5-prop-2-enyl-3a,4,5,6,7,7a-hexahydro-2H-inden-4-ol?
The canonical SMILES for 1,1,2,3,3-pentamethyl-5-prop-2-enyl-3a,4,5,6,7,7a-hexahydro-2H-inden-4-ol is C=CCC1CCC2C(C1O)C(C)(C)C(C)C2(C)C.
What is the InChIKey of 1,1,2,3,3-pentamethyl-5-prop-2-enyl-3a,4,5,6,7,7a-hexahydro-2H-inden-4-ol?
The InChIKey is XNGMPTNJRRSETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-7-8-12-9-10-13-14(15(12)18)17(5,6)11(2)16(13,3)4/h7,11-15,18H,1,8-10H2,2-6H3.
What are the key properties of 1,1,2,3,3-pentamethyl-5-prop-2-enyl-3a,4,5,6,7,7a-hexahydro-2H-inden-4-ol?
1,1,2,3,3-pentamethyl-5-prop-2-enyl-3a,4,5,6,7,7a-hexahydro-2H-inden-4-ol has a molecular weight of 250.43 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentamethyl-5-prop-2-enyl-3a,4,5,6,7,7a-hexahydro-2H-inden-4-ol is sourced from PubChem (CID 18008828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).