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

C10H22O — CID 160589694

IUPACmethane;(2S,3R)-3-propan-2-ylhex-5-en-2-ol
SMILESC.C=CC[C@H](C(C)C)[C@H](C)O
InChIInChI=1S/C9H18O.CH4/c1-5-6-9(7(2)3)8(4)10;/h5,7-10H,1,6H2,2-4H3;1H4/t8-,9+;/m0./s1
InChIKeyRCVPIWFHHCHNRH-OULXEKPRSA-N
MW158.28 g/mol
LogP2.85
Rot. Bonds4

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

methane;(2S,3R)-3-propan-2-ylhex-5-en-2-ol (PubChem CID 160589694) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is methane;(2S,3R)-3-propan-2-ylhex-5-en-2-ol.

Molecular Properties

Compound Namemethane;(2S,3R)-3-propan-2-ylhex-5-en-2-ol
PubChem CID160589694
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Namemethane;(2S,3R)-3-propan-2-ylhex-5-en-2-ol
SMILESC.C=CC[C@H](C(C)C)[C@H](C)O
InChIInChI=1S/C9H18O.CH4/c1-5-6-9(7(2)3)8(4)10;/h5,7-10H,1,6H2,2-4H3;1H4/t8-,9+;/m0./s1
InChIKeyRCVPIWFHHCHNRH-OULXEKPRSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.85
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

(2S,3R)-3-propan-2-ylhex-5-en-2-ol
CID 59911359
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 methane;(2S,3R)-3-propan-2-ylhex-5-en-2-ol?
The IUPAC name of methane;(2S,3R)-3-propan-2-ylhex-5-en-2-ol (CID 160589694) is methane;(2S,3R)-3-propan-2-ylhex-5-en-2-ol.
What is the SMILES notation for methane;(2S,3R)-3-propan-2-ylhex-5-en-2-ol?
The canonical SMILES for methane;(2S,3R)-3-propan-2-ylhex-5-en-2-ol is C.C=CC[C@H](C(C)C)[C@H](C)O.
What is the InChIKey of methane;(2S,3R)-3-propan-2-ylhex-5-en-2-ol?
The InChIKey is RCVPIWFHHCHNRH-OULXEKPRSA-N. The full InChI is InChI=1S/C9H18O.CH4/c1-5-6-9(7(2)3)8(4)10;/h5,7-10H,1,6H2,2-4H3;1H4/t8-,9+;/m0./s1.
What are the key properties of methane;(2S,3R)-3-propan-2-ylhex-5-en-2-ol?
methane;(2S,3R)-3-propan-2-ylhex-5-en-2-ol has a molecular weight of 158.28 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(2S,3R)-3-propan-2-ylhex-5-en-2-ol is sourced from PubChem (CID 160589694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).