(3R,4S,5E)-2,4-dimethylhepta-1,5-dien-3-ol

C9H16O — CID 11007995

IUPAC(3R,4S,5E)-2,4-dimethylhepta-1,5-dien-3-ol
SMILESC=C(C)[C@H](O)[C@@H](C)/C=C/C
InChIInChI=1S/C9H16O/c1-5-6-8(4)9(10)7(2)3/h5-6,8-10H,2H2,1,3-4H3/b6-5+/t8-,9-/m0/s1
InChIKeyUIRPBZZAPBWXIO-MUNZNRDXSA-N
MW140.23 g/mol
LogP2.14
Rot. Bonds3

About (3R,4S,5E)-2,4-dimethylhepta-1,5-dien-3-ol

(3R,4S,5E)-2,4-dimethylhepta-1,5-dien-3-ol (PubChem CID 11007995) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (3R,4S,5E)-2,4-dimethylhepta-1,5-dien-3-ol.

Molecular Properties

Compound Name(3R,4S,5E)-2,4-dimethylhepta-1,5-dien-3-ol
PubChem CID11007995
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(3R,4S,5E)-2,4-dimethylhepta-1,5-dien-3-ol
SMILESC=C(C)[C@H](O)[C@@H](C)/C=C/C
InChIInChI=1S/C9H16O/c1-5-6-8(4)9(10)7(2)3/h5-6,8-10H,2H2,1,3-4H3/b6-5+/t8-,9-/m0/s1
InChIKeyUIRPBZZAPBWXIO-MUNZNRDXSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.14
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

2,5-dimethylhepta-1,5-diene-3,4-diol
CID 559107
(E,3R,4R)-4-methylhept-5-en-1-yn-3-ol
CID 11051643
propan-2-yl (Z,2S,3S)-2-hydroxy-3-methylhex-4-enoate
CID 23256461
2-methylocta-1,6-diene-3,5-diol
CID 173315140
(3Z)-2,5-dimethylocta-1,3,6-triene
CID 144587604
3-methylidenehept-5-ene-2,4-diol
CID 90801903
4-prop-1-en-2-ylocta-2,5-diene
CID 141105278
(5Z)-3-fluoro-4-methylhepta-1,5-diene
CID 143849032
(3E,5S,6R,7E)-2,5,6,9-tetramethyldeca-1,3,7,9-tetraene
CID 11106169
ethene;propane;(7Z)-2,5,6-trimethylnona-2,7-diene
CID 157032129
2,3,4,7-tetramethylocta-1,5-diene
CID 90685046
3-hydroxy-2,4-dimethylpent-4-enoic acid
CID 13152656

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5E)-2,4-dimethylhepta-1,5-dien-3-ol?
The IUPAC name of (3R,4S,5E)-2,4-dimethylhepta-1,5-dien-3-ol (CID 11007995) is (3R,4S,5E)-2,4-dimethylhepta-1,5-dien-3-ol.
What is the SMILES notation for (3R,4S,5E)-2,4-dimethylhepta-1,5-dien-3-ol?
The canonical SMILES for (3R,4S,5E)-2,4-dimethylhepta-1,5-dien-3-ol is C=C(C)[C@H](O)[C@@H](C)/C=C/C.
What is the InChIKey of (3R,4S,5E)-2,4-dimethylhepta-1,5-dien-3-ol?
The InChIKey is UIRPBZZAPBWXIO-MUNZNRDXSA-N. The full InChI is InChI=1S/C9H16O/c1-5-6-8(4)9(10)7(2)3/h5-6,8-10H,2H2,1,3-4H3/b6-5+/t8-,9-/m0/s1.
What are the key properties of (3R,4S,5E)-2,4-dimethylhepta-1,5-dien-3-ol?
(3R,4S,5E)-2,4-dimethylhepta-1,5-dien-3-ol has a molecular weight of 140.23 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5E)-2,4-dimethylhepta-1,5-dien-3-ol is sourced from PubChem (CID 11007995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).