(2S,3R)-2,3,6-trimethylhept-5-en-1-ol

C10H20O — CID 11030070

IUPAC(2S,3R)-2,3,6-trimethylhept-5-en-1-ol
SMILESCC(C)=CC[C@@H](C)[C@H](C)CO
InChIInChI=1S/C10H20O/c1-8(2)5-6-9(3)10(4)7-11/h5,9-11H,6-7H2,1-4H3/t9-,10-/m1/s1
InChIKeyNEFLTGMRGQSVHM-NXEZZACHSA-N
MW156.27 g/mol
LogP2.61
Rot. Bonds4

About (2S,3R)-2,3,6-trimethylhept-5-en-1-ol

(2S,3R)-2,3,6-trimethylhept-5-en-1-ol (PubChem CID 11030070) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (2S,3R)-2,3,6-trimethylhept-5-en-1-ol.

Molecular Properties

Compound Name(2S,3R)-2,3,6-trimethylhept-5-en-1-ol
PubChem CID11030070
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(2S,3R)-2,3,6-trimethylhept-5-en-1-ol
SMILESCC(C)=CC[C@@H](C)[C@H](C)CO
InChIInChI=1S/C10H20O/c1-8(2)5-6-9(3)10(4)7-11/h5,9-11H,6-7H2,1-4H3/t9-,10-/m1/s1
InChIKeyNEFLTGMRGQSVHM-NXEZZACHSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.61
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 (2S,3R)-2,3,6-trimethylhept-5-en-1-ol?
The IUPAC name of (2S,3R)-2,3,6-trimethylhept-5-en-1-ol (CID 11030070) is (2S,3R)-2,3,6-trimethylhept-5-en-1-ol.
What is the SMILES notation for (2S,3R)-2,3,6-trimethylhept-5-en-1-ol?
The canonical SMILES for (2S,3R)-2,3,6-trimethylhept-5-en-1-ol is CC(C)=CC[C@@H](C)[C@H](C)CO.
What is the InChIKey of (2S,3R)-2,3,6-trimethylhept-5-en-1-ol?
The InChIKey is NEFLTGMRGQSVHM-NXEZZACHSA-N. The full InChI is InChI=1S/C10H20O/c1-8(2)5-6-9(3)10(4)7-11/h5,9-11H,6-7H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of (2S,3R)-2,3,6-trimethylhept-5-en-1-ol?
(2S,3R)-2,3,6-trimethylhept-5-en-1-ol has a molecular weight of 156.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2,3,6-trimethylhept-5-en-1-ol is sourced from PubChem (CID 11030070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).