3-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)-2-methylpropan-1-ol

C15H28O — CID 129031543

IUPAC3-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)-2-methylpropan-1-ol
SMILESCC(CO)CC1CCC2CCC(C)(C)C2C1
InChIInChI=1S/C15H28O/c1-11(10-16)8-12-4-5-13-6-7-15(2,3)14(13)9-12/h11-14,16H,4-10H2,1-3H3
InChIKeyNQJRTPKEUSSXRO-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.86
Rot. Bonds3

About 3-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)-2-methylpropan-1-ol

3-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)-2-methylpropan-1-ol (PubChem CID 129031543) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)-2-methylpropan-1-ol
PubChem CID129031543
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name3-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)-2-methylpropan-1-ol
SMILESCC(CO)CC1CCC2CCC(C)(C)C2C1
InChIInChI=1S/C15H28O/c1-11(10-16)8-12-4-5-13-6-7-15(2,3)14(13)9-12/h11-14,16H,4-10H2,1-3H3
InChIKeyNQJRTPKEUSSXRO-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)-2-methylpropan-1-ol?
The IUPAC name of 3-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)-2-methylpropan-1-ol (CID 129031543) is 3-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)-2-methylpropan-1-ol is CC(CO)CC1CCC2CCC(C)(C)C2C1.
What is the InChIKey of 3-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)-2-methylpropan-1-ol?
The InChIKey is NQJRTPKEUSSXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-11(10-16)8-12-4-5-13-6-7-15(2,3)14(13)9-12/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 3-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)-2-methylpropan-1-ol?
3-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)-2-methylpropan-1-ol has a molecular weight of 224.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroinden-5-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 129031543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).