(4S,5S)-5-ethyl-6-methylhept-1-en-4-ol

C10H20O — CID 59076573

IUPAC(4S,5S)-5-ethyl-6-methylhept-1-en-4-ol
SMILESC=CC[C@H](O)[C@@H](CC)C(C)C
InChIInChI=1S/C10H20O/c1-5-7-10(11)9(6-2)8(3)4/h5,8-11H,1,6-7H2,2-4H3/t9-,10-/m0/s1
InChIKeyHDUGHSQTLRAQIF-UWVGGRQHSA-N
MW156.27 g/mol
LogP2.61
Rot. Bonds5

About (4S,5S)-5-ethyl-6-methylhept-1-en-4-ol

(4S,5S)-5-ethyl-6-methylhept-1-en-4-ol (PubChem CID 59076573) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (4S,5S)-5-ethyl-6-methylhept-1-en-4-ol.

Molecular Properties

Compound Name(4S,5S)-5-ethyl-6-methylhept-1-en-4-ol
PubChem CID59076573
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(4S,5S)-5-ethyl-6-methylhept-1-en-4-ol
SMILESC=CC[C@H](O)[C@@H](CC)C(C)C
InChIInChI=1S/C10H20O/c1-5-7-10(11)9(6-2)8(3)4/h5,8-11H,1,6-7H2,2-4H3/t9-,10-/m0/s1
InChIKeyHDUGHSQTLRAQIF-UWVGGRQHSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.61
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;(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
(2S,3R)-3-propan-2-ylhex-5-en-2-ol
CID 59911359
methane;(2S,3R)-3-propan-2-ylhex-5-en-2-ol
CID 160589694
(2S,3S)-3-ethyl-4-methylpentane-1,2-diol
CID 15101929
3-methylhept-6-ene-2,4-diol
CID 66895376
(4S)-3-ethyl-2-methylheptan-4-ol
CID 59039449
(2R)-2-methylhex-5-ene-1,3-diol
CID 130652300
3-ethyl-2-methylheptan-4-ol
CID 23384905
ethane;5-methyloct-1-en-4-ol
CID 142059047
(3S)-hex-5-en-3-ol
CID 10749148

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-ethyl-6-methylhept-1-en-4-ol?
The IUPAC name of (4S,5S)-5-ethyl-6-methylhept-1-en-4-ol (CID 59076573) is (4S,5S)-5-ethyl-6-methylhept-1-en-4-ol.
What is the SMILES notation for (4S,5S)-5-ethyl-6-methylhept-1-en-4-ol?
The canonical SMILES for (4S,5S)-5-ethyl-6-methylhept-1-en-4-ol is C=CC[C@H](O)[C@@H](CC)C(C)C.
What is the InChIKey of (4S,5S)-5-ethyl-6-methylhept-1-en-4-ol?
The InChIKey is HDUGHSQTLRAQIF-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H20O/c1-5-7-10(11)9(6-2)8(3)4/h5,8-11H,1,6-7H2,2-4H3/t9-,10-/m0/s1.
What are the key properties of (4S,5S)-5-ethyl-6-methylhept-1-en-4-ol?
(4S,5S)-5-ethyl-6-methylhept-1-en-4-ol has a molecular weight of 156.27 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-ethyl-6-methylhept-1-en-4-ol is sourced from PubChem (CID 59076573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).