(1R,2S,4R)-2-[(Z)-but-1-enoxy]-1-methyl-4-propan-2-ylcyclohexane

C14H26O — CID 102001438

IUPAC(1R,2S,4R)-2-[(Z)-but-1-enoxy]-1-methyl-4-propan-2-ylcyclohexane
SMILESCC/C=C\O[C@H]1C[C@H](C(C)C)CC[C@H]1C
InChIInChI=1S/C14H26O/c1-5-6-9-15-14-10-13(11(2)3)8-7-12(14)4/h6,9,11-14H,5,7-8,10H2,1-4H3/b9-6-/t12-,13-,14+/m1/s1
InChIKeyOAITYXBFUNMKNC-XNXUKNMWSA-N
MW210.36 g/mol
LogP4.39
Rot. Bonds4

About (1R,2S,4R)-2-[(Z)-but-1-enoxy]-1-methyl-4-propan-2-ylcyclohexane

(1R,2S,4R)-2-[(Z)-but-1-enoxy]-1-methyl-4-propan-2-ylcyclohexane (PubChem CID 102001438) has the molecular formula C14H26O and a molecular weight of 210.36 g/mol. Its IUPAC name is (1R,2S,4R)-2-[(Z)-but-1-enoxy]-1-methyl-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name(1R,2S,4R)-2-[(Z)-but-1-enoxy]-1-methyl-4-propan-2-ylcyclohexane
PubChem CID102001438
Molecular FormulaC14H26O
Molecular Weight210.36 g/mol
Exact Mass210.20
IUPAC Name(1R,2S,4R)-2-[(Z)-but-1-enoxy]-1-methyl-4-propan-2-ylcyclohexane
SMILESCC/C=C\O[C@H]1C[C@H](C(C)C)CC[C@H]1C
InChIInChI=1S/C14H26O/c1-5-6-9-15-14-10-13(11(2)3)8-7-12(14)4/h6,9,11-14H,5,7-8,10H2,1-4H3/b9-6-/t12-,13-,14+/m1/s1
InChIKeyOAITYXBFUNMKNC-XNXUKNMWSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-2-enoxycyclohexane
CID 11063361
1-Isopropyl-4-methyl-2-(vinyloxy)cyclohexane
CID 11206170
(1S,2R,4R)-1-Isopropyl-4-methyl-2-(vinyloxy)cyclohexane
CID 11030462
Menthyl allyl ether
CID 11106286
rel-(1R,2S,4S)-1-Isopropyl-4-methyl-2-(vinyloxy)cyclohexane
CID 11206171
(1S,2R,4R)-4-methyl-1-propan-2-yl-2-prop-1-en-2-yloxycyclohexane
CID 10888855
(1S,2R,4R)-4-methyl-2-[(1E,3E)-4-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybuta-1,3-dienoxy]-1-propan-2-ylcyclohexane
CID 10970493
(1S,2R,4R)-4-methyl-2-[(E)-oct-1-en-3-ynoxy]-1-propan-2-ylcyclohexane
CID 10978288
(1S,2R,4R)-4-methyl-2-[(1E,3Z)-octa-1,3-dienoxy]-1-propan-2-ylcyclohexane
CID 11065337
(1S,2R,4R)-4-methyl-1-propan-2-yl-2-[(E)-prop-1-enoxy]cyclohexane
CID 11206383
(1S,2R,4R)-2-[(E)-1-bromoprop-1-enoxy]-4-methyl-1-propan-2-ylcyclohexane
CID 11380333
(1S,2R,4R)-4-methyl-1-propan-2-yl-2-[(Z)-prop-1-enoxy]cyclohexane
CID 13808323

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-2-[(Z)-but-1-enoxy]-1-methyl-4-propan-2-ylcyclohexane?
The IUPAC name of (1R,2S,4R)-2-[(Z)-but-1-enoxy]-1-methyl-4-propan-2-ylcyclohexane (CID 102001438) is (1R,2S,4R)-2-[(Z)-but-1-enoxy]-1-methyl-4-propan-2-ylcyclohexane.
What is the SMILES notation for (1R,2S,4R)-2-[(Z)-but-1-enoxy]-1-methyl-4-propan-2-ylcyclohexane?
The canonical SMILES for (1R,2S,4R)-2-[(Z)-but-1-enoxy]-1-methyl-4-propan-2-ylcyclohexane is CC/C=C\O[C@H]1C[C@H](C(C)C)CC[C@H]1C.
What is the InChIKey of (1R,2S,4R)-2-[(Z)-but-1-enoxy]-1-methyl-4-propan-2-ylcyclohexane?
The InChIKey is OAITYXBFUNMKNC-XNXUKNMWSA-N. The full InChI is InChI=1S/C14H26O/c1-5-6-9-15-14-10-13(11(2)3)8-7-12(14)4/h6,9,11-14H,5,7-8,10H2,1-4H3/b9-6-/t12-,13-,14+/m1/s1.
What are the key properties of (1R,2S,4R)-2-[(Z)-but-1-enoxy]-1-methyl-4-propan-2-ylcyclohexane?
(1R,2S,4R)-2-[(Z)-but-1-enoxy]-1-methyl-4-propan-2-ylcyclohexane has a molecular weight of 210.36 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-2-[(Z)-but-1-enoxy]-1-methyl-4-propan-2-ylcyclohexane is sourced from PubChem (CID 102001438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).