(5R,6E)-6-[(7aR)-1,2,3,3a,4,7a-hexahydroinden-5-ylidene]-5-methylhexan-2-ol

C16H26O — CID 11492385

IUPAC(5R,6E)-6-[(7aR)-1,2,3,3a,4,7a-hexahydroinden-5-ylidene]-5-methylhexan-2-ol
SMILESCC(O)CC[C@@H](C)/C=C1/C=C[C@@H]2CCCC2C1
InChIInChI=1S/C16H26O/c1-12(6-7-13(2)17)10-14-8-9-15-4-3-5-16(15)11-14/h8-10,12-13,15-17H,3-7,11H2,1-2H3/b14-10-/t12-,13?,15+,16?/m1/s1
InChIKeyFKJXQFOWKUWOET-GIHYVBCPSA-N
MW234.38 g/mol
LogP4.09
Rot. Bonds4

About (5R,6E)-6-[(7aR)-1,2,3,3a,4,7a-hexahydroinden-5-ylidene]-5-methylhexan-2-ol

(5R,6E)-6-[(7aR)-1,2,3,3a,4,7a-hexahydroinden-5-ylidene]-5-methylhexan-2-ol (PubChem CID 11492385) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is (5R,6E)-6-[(7aR)-1,2,3,3a,4,7a-hexahydroinden-5-ylidene]-5-methylhexan-2-ol.

Molecular Properties

Compound Name(5R,6E)-6-[(7aR)-1,2,3,3a,4,7a-hexahydroinden-5-ylidene]-5-methylhexan-2-ol
PubChem CID11492385
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name(5R,6E)-6-[(7aR)-1,2,3,3a,4,7a-hexahydroinden-5-ylidene]-5-methylhexan-2-ol
SMILESCC(O)CC[C@@H](C)/C=C1/C=C[C@@H]2CCCC2C1
InChIInChI=1S/C16H26O/c1-12(6-7-13(2)17)10-14-8-9-15-4-3-5-16(15)11-14/h8-10,12-13,15-17H,3-7,11H2,1-2H3/b14-10-/t12-,13?,15+,16?/m1/s1
InChIKeyFKJXQFOWKUWOET-GIHYVBCPSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R,6E)-6-[(7aR)-1,2,3,3a,4,7a-hexahydroinden-5-ylidene]-5-methylhexan-2-ol?
The IUPAC name of (5R,6E)-6-[(7aR)-1,2,3,3a,4,7a-hexahydroinden-5-ylidene]-5-methylhexan-2-ol (CID 11492385) is (5R,6E)-6-[(7aR)-1,2,3,3a,4,7a-hexahydroinden-5-ylidene]-5-methylhexan-2-ol.
What is the SMILES notation for (5R,6E)-6-[(7aR)-1,2,3,3a,4,7a-hexahydroinden-5-ylidene]-5-methylhexan-2-ol?
The canonical SMILES for (5R,6E)-6-[(7aR)-1,2,3,3a,4,7a-hexahydroinden-5-ylidene]-5-methylhexan-2-ol is CC(O)CC[C@@H](C)/C=C1/C=C[C@@H]2CCCC2C1.
What is the InChIKey of (5R,6E)-6-[(7aR)-1,2,3,3a,4,7a-hexahydroinden-5-ylidene]-5-methylhexan-2-ol?
The InChIKey is FKJXQFOWKUWOET-GIHYVBCPSA-N. The full InChI is InChI=1S/C16H26O/c1-12(6-7-13(2)17)10-14-8-9-15-4-3-5-16(15)11-14/h8-10,12-13,15-17H,3-7,11H2,1-2H3/b14-10-/t12-,13?,15+,16?/m1/s1.
What are the key properties of (5R,6E)-6-[(7aR)-1,2,3,3a,4,7a-hexahydroinden-5-ylidene]-5-methylhexan-2-ol?
(5R,6E)-6-[(7aR)-1,2,3,3a,4,7a-hexahydroinden-5-ylidene]-5-methylhexan-2-ol has a molecular weight of 234.38 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6E)-6-[(7aR)-1,2,3,3a,4,7a-hexahydroinden-5-ylidene]-5-methylhexan-2-ol is sourced from PubChem (CID 11492385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).