3a,4,5-trimethyl-1-prop-1-en-2-yl-2,3,4,6,7,7a-hexahydro-1H-indene-2,5-diol

C15H26O2 — CID 3508973

IUPAC3a,4,5-trimethyl-1-prop-1-en-2-yl-2,3,4,6,7,7a-hexahydro-1H-indene-2,5-diol
SMILESC=C(C)C1C(O)CC2(C)C1CCC(C)(O)C2C
InChIInChI=1S/C15H26O2/c1-9(2)13-11-6-7-15(5,17)10(3)14(11,4)8-12(13)16/h10-13,16-17H,1,6-8H2,2-5H3
InChIKeyCGKHVNUMMHTZJY-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.75
Rot. Bonds1

About 3a,4,5-trimethyl-1-prop-1-en-2-yl-2,3,4,6,7,7a-hexahydro-1H-indene-2,5-diol

3a,4,5-trimethyl-1-prop-1-en-2-yl-2,3,4,6,7,7a-hexahydro-1H-indene-2,5-diol (PubChem CID 3508973) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 3a,4,5-trimethyl-1-prop-1-en-2-yl-2,3,4,6,7,7a-hexahydro-1H-indene-2,5-diol.

Molecular Properties

Compound Name3a,4,5-trimethyl-1-prop-1-en-2-yl-2,3,4,6,7,7a-hexahydro-1H-indene-2,5-diol
PubChem CID3508973
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name3a,4,5-trimethyl-1-prop-1-en-2-yl-2,3,4,6,7,7a-hexahydro-1H-indene-2,5-diol
SMILESC=C(C)C1C(O)CC2(C)C1CCC(C)(O)C2C
InChIInChI=1S/C15H26O2/c1-9(2)13-11-6-7-15(5,17)10(3)14(11,4)8-12(13)16/h10-13,16-17H,1,6-8H2,2-5H3
InChIKeyCGKHVNUMMHTZJY-UHFFFAOYSA-N
XLogP2.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3a,4,5-trimethyl-1-prop-1-en-2-yl-2,3,4,6,7,7a-hexahydro-1H-indene-2,5-diol?
The IUPAC name of 3a,4,5-trimethyl-1-prop-1-en-2-yl-2,3,4,6,7,7a-hexahydro-1H-indene-2,5-diol (CID 3508973) is 3a,4,5-trimethyl-1-prop-1-en-2-yl-2,3,4,6,7,7a-hexahydro-1H-indene-2,5-diol.
What is the SMILES notation for 3a,4,5-trimethyl-1-prop-1-en-2-yl-2,3,4,6,7,7a-hexahydro-1H-indene-2,5-diol?
The canonical SMILES for 3a,4,5-trimethyl-1-prop-1-en-2-yl-2,3,4,6,7,7a-hexahydro-1H-indene-2,5-diol is C=C(C)C1C(O)CC2(C)C1CCC(C)(O)C2C.
What is the InChIKey of 3a,4,5-trimethyl-1-prop-1-en-2-yl-2,3,4,6,7,7a-hexahydro-1H-indene-2,5-diol?
The InChIKey is CGKHVNUMMHTZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-9(2)13-11-6-7-15(5,17)10(3)14(11,4)8-12(13)16/h10-13,16-17H,1,6-8H2,2-5H3.
What are the key properties of 3a,4,5-trimethyl-1-prop-1-en-2-yl-2,3,4,6,7,7a-hexahydro-1H-indene-2,5-diol?
3a,4,5-trimethyl-1-prop-1-en-2-yl-2,3,4,6,7,7a-hexahydro-1H-indene-2,5-diol has a molecular weight of 238.37 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,5-trimethyl-1-prop-1-en-2-yl-2,3,4,6,7,7a-hexahydro-1H-indene-2,5-diol is sourced from PubChem (CID 3508973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).