(Z)-3-propan-2-ylhex-4-en-2-ol

C9H17O+ — CID 90721826

IUPAC(Z)-3-propan-2-ylhex-4-en-2-ol
SMILES[CH2+]C(C)C(/C=C\C)C(C)O
InChIInChI=1S/C9H17O/c1-5-6-9(7(2)3)8(4)10/h5-10H,2H2,1,3-4H3/q+1/b6-5-
InChIKeyMAZCRHLZQBUWHQ-WAYWQWQTSA-N
MW141.23 g/mol
LogP2.03
Rot. Bonds3

About (Z)-3-propan-2-ylhex-4-en-2-ol

(Z)-3-propan-2-ylhex-4-en-2-ol (PubChem CID 90721826) has the molecular formula C9H17O+ and a molecular weight of 141.23 g/mol. Its IUPAC name is (Z)-3-propan-2-ylhex-4-en-2-ol.

Molecular Properties

Compound Name(Z)-3-propan-2-ylhex-4-en-2-ol
PubChem CID90721826
Molecular FormulaC9H17O+
Molecular Weight141.23 g/mol
Exact Mass141.13
IUPAC Name(Z)-3-propan-2-ylhex-4-en-2-ol
SMILES[CH2+]C(C)C(/C=C\C)C(C)O
InChIInChI=1S/C9H17O/c1-5-6-9(7(2)3)8(4)10/h5-10H,2H2,1,3-4H3/q+1/b6-5-
InChIKeyMAZCRHLZQBUWHQ-WAYWQWQTSA-N
XLogP2.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E,2S,3R)-3-methoxyhex-4-en-2-ol
CID 134939548
3-methylidenehept-5-ene-2,4-diol
CID 90801903
3-methylhepta-2,5-dien-4-ol
CID 130124822
4-methylpent-2-ene
CID 12659
(1Z,5E)-1,2-dichloro-3,4-dimethylhepta-1,5-diene
CID 155470137
(Z,1R)-1-cyclopropylbut-2-en-1-ol
CID 135079327
4-ethynylhept-5-en-2-ol
CID 71389740
erbium;propan-2-ol
CID 160843836
(2R,3R)-butane-2,3-diol;(2R,3S)-butane-2,3-diol
CID 161487042
(E,3R)-2,2-dimethylhex-4-en-3-ol
CID 11446339
(Z,2S)-2-methylpent-3-en-1-ol
CID 101124729
(E)-hex-4-en-3-ol
CID 5366234

Frequently Asked Questions

What is the IUPAC name of (Z)-3-propan-2-ylhex-4-en-2-ol?
The IUPAC name of (Z)-3-propan-2-ylhex-4-en-2-ol (CID 90721826) is (Z)-3-propan-2-ylhex-4-en-2-ol.
What is the SMILES notation for (Z)-3-propan-2-ylhex-4-en-2-ol?
The canonical SMILES for (Z)-3-propan-2-ylhex-4-en-2-ol is [CH2+]C(C)C(/C=C\C)C(C)O.
What is the InChIKey of (Z)-3-propan-2-ylhex-4-en-2-ol?
The InChIKey is MAZCRHLZQBUWHQ-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H17O/c1-5-6-9(7(2)3)8(4)10/h5-10H,2H2,1,3-4H3/q+1/b6-5-.
What are the key properties of (Z)-3-propan-2-ylhex-4-en-2-ol?
(Z)-3-propan-2-ylhex-4-en-2-ol has a molecular weight of 141.23 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-propan-2-ylhex-4-en-2-ol is sourced from PubChem (CID 90721826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).