(3R)-2,6-dimethylhept-5-en-3-ol

C9H18O — CID 141014300

IUPAC(3R)-2,6-dimethylhept-5-en-3-ol
SMILESCC(C)=CC[C@@H](O)C(C)C
InChIInChI=1S/C9H18O/c1-7(2)5-6-9(10)8(3)4/h5,8-10H,6H2,1-4H3/t9-/m1/s1
InChIKeyLZJSTEGTOURTQE-SECBINFHSA-N
MW142.24 g/mol
LogP2.36
Rot. Bonds3

About (3R)-2,6-dimethylhept-5-en-3-ol

(3R)-2,6-dimethylhept-5-en-3-ol (PubChem CID 141014300) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (3R)-2,6-dimethylhept-5-en-3-ol.

Molecular Properties

Compound Name(3R)-2,6-dimethylhept-5-en-3-ol
PubChem CID141014300
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(3R)-2,6-dimethylhept-5-en-3-ol
SMILESCC(C)=CC[C@@H](O)C(C)C
InChIInChI=1S/C9H18O/c1-7(2)5-6-9(10)8(3)4/h5,8-10H,6H2,1-4H3/t9-/m1/s1
InChIKeyLZJSTEGTOURTQE-SECBINFHSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R,4S)-3,7-dimethyloct-6-ene-1,4-diol
CID 162944797
(3R)-3-hydroxy-2,6-dimethylhept-5-enoic acid
CID 87960704
2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene
CID 58242815
(E)-2-methylhept-5-en-3-ol
CID 12592438
(3S)-2,6-dimethylhepta-1,5-dien-3-ol
CID 12774566
2,5-dimethylhept-2-ene;ethane
CID 144650208
2-(1-hydroxyethyl)-5-methylhex-4-enoic acid
CID 175148500
(4S)-3,4,7-trimethyloct-6-enal
CID 89108155
3,3,4,8-tetramethylnon-7-en-2-ol
CID 58555248
(2Z,4S)-3,7-dimethylocta-2,6-diene-1,4-diol
CID 154496007
(2Z,4S)-3,4,7-trimethylocta-2,6-dien-1-ol
CID 129379674
(2E)-3,7-dimethylocta-2,6-diene-1,4-diol
CID 22323960

Frequently Asked Questions

What is the IUPAC name of (3R)-2,6-dimethylhept-5-en-3-ol?
The IUPAC name of (3R)-2,6-dimethylhept-5-en-3-ol (CID 141014300) is (3R)-2,6-dimethylhept-5-en-3-ol.
What is the SMILES notation for (3R)-2,6-dimethylhept-5-en-3-ol?
The canonical SMILES for (3R)-2,6-dimethylhept-5-en-3-ol is CC(C)=CC[C@@H](O)C(C)C.
What is the InChIKey of (3R)-2,6-dimethylhept-5-en-3-ol?
The InChIKey is LZJSTEGTOURTQE-SECBINFHSA-N. The full InChI is InChI=1S/C9H18O/c1-7(2)5-6-9(10)8(3)4/h5,8-10H,6H2,1-4H3/t9-/m1/s1.
What are the key properties of (3R)-2,6-dimethylhept-5-en-3-ol?
(3R)-2,6-dimethylhept-5-en-3-ol has a molecular weight of 142.24 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,6-dimethylhept-5-en-3-ol is sourced from PubChem (CID 141014300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).