(2S,3R)-3-propan-2-ylhex-5-en-2-ol

C9H18O — CID 59911359

IUPAC(2S,3R)-3-propan-2-ylhex-5-en-2-ol
SMILESC=CC[C@H](C(C)C)[C@H](C)O
InChIInChI=1S/C9H18O/c1-5-6-9(7(2)3)8(4)10/h5,7-10H,1,6H2,2-4H3/t8-,9+/m0/s1
InChIKeyWDWSHTKAMBDSRL-DTWKUNHWSA-N
MW142.24 g/mol
LogP2.22
Rot. Bonds4

About (2S,3R)-3-propan-2-ylhex-5-en-2-ol

(2S,3R)-3-propan-2-ylhex-5-en-2-ol (PubChem CID 59911359) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (2S,3R)-3-propan-2-ylhex-5-en-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-propan-2-ylhex-5-en-2-ol
PubChem CID59911359
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(2S,3R)-3-propan-2-ylhex-5-en-2-ol
SMILESC=CC[C@H](C(C)C)[C@H](C)O
InChIInChI=1S/C9H18O/c1-5-6-9(7(2)3)8(4)10/h5,7-10H,1,6H2,2-4H3/t8-,9+/m0/s1
InChIKeyWDWSHTKAMBDSRL-DTWKUNHWSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.22
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

methane;(2S,3R)-3-propan-2-ylhex-5-en-2-ol
CID 160589694
methane;(4S,5R)-5-propan-2-ylocta-1,7-dien-4-ol
CID 157073054
(3S)-4-propan-2-ylhept-6-en-3-ol
CID 59039473
(4S,5S)-5-methyl-4-propan-2-ylhept-1-ene
CID 59039366
(4S,5S)-5-ethyl-6-methylhept-1-en-4-ol
CID 59076573
azane;pent-4-en-2-ol
CID 22149561
(2S,3R)-3-aminohex-5-en-2-ol
CID 130715143
3-methylhept-6-ene-2,4-diol
CID 66895376
4-propan-2-ylhepta-1,6-diene
CID 14140894
2-(1-hydroxyethyl)pent-4-enoic acid
CID 18940262
(4R)-8-methylnon-1-en-4-ol
CID 11672703
(2R)-2-methylhex-5-ene-1,3-diol
CID 130652300

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-propan-2-ylhex-5-en-2-ol?
The IUPAC name of (2S,3R)-3-propan-2-ylhex-5-en-2-ol (CID 59911359) is (2S,3R)-3-propan-2-ylhex-5-en-2-ol.
What is the SMILES notation for (2S,3R)-3-propan-2-ylhex-5-en-2-ol?
The canonical SMILES for (2S,3R)-3-propan-2-ylhex-5-en-2-ol is C=CC[C@H](C(C)C)[C@H](C)O.
What is the InChIKey of (2S,3R)-3-propan-2-ylhex-5-en-2-ol?
The InChIKey is WDWSHTKAMBDSRL-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18O/c1-5-6-9(7(2)3)8(4)10/h5,7-10H,1,6H2,2-4H3/t8-,9+/m0/s1.
What are the key properties of (2S,3R)-3-propan-2-ylhex-5-en-2-ol?
(2S,3R)-3-propan-2-ylhex-5-en-2-ol has a molecular weight of 142.24 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-propan-2-ylhex-5-en-2-ol is sourced from PubChem (CID 59911359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).